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Advanced AiiDA workflows for Wannier90

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Advanced AiiDA workflows for automated Wannierisation.

The protocol for automating the construction of Wannier functions is discussed in the articles listed in the Support and citations.


  1. Install latest release by

    pip install aiida-wannier90-workflows
  2. Or install the development version by

    git clone
    cd aiida-wannier90-workflows/
    pip install -e .


See the examples folder on how to use the workflows.

Support and citations

If you find this package useful, please cite the following articles

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